(3R)-1-(4-aminophenyl)-3-(azepan-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-aminophenyl)-3-(azepan-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-aminophenyl)-3-(azepan-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-aminophenyl)-3-(1-azepan-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-aminophenyl)-3-(azepan-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-aminophenyl)-3-(azepan-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C16H21N3O2/c17-12-5-7-13(8-6-12)19-15(20)11-14(16(19)21)18-9-3-1-2-4-10-18/h5-8,14H,1-4,9-11,17H2/p+1/t14-/m1/s1